3-propan-2-yl-2-(3,3,3-trifluoropropyl)-3,6,7,8,9,9a-hexahydropyrido[1,2-a]pyrazine-1,4-dione

C14H21F3N2O2 — CID 79917524

IUPAC3-propan-2-yl-2-(3,3,3-trifluoropropyl)-3,6,7,8,9,9a-hexahydropyrido[1,2-a]pyrazine-1,4-dione
SMILESCC(C)C1C(=O)N2CCCCC2C(=O)N1CCC(F)(F)F
InChIInChI=1S/C14H21F3N2O2/c1-9(2)11-13(21)18-7-4-3-5-10(18)12(20)19(11)8-6-14(15,16)17/h9-11H,3-8H2,1-2H3
InChIKeyFDFQCSPDCGMJSY-UHFFFAOYSA-N
MW306.33 g/mol
LogP2.19
Rot. Bonds3

About 3-propan-2-yl-2-(3,3,3-trifluoropropyl)-3,6,7,8,9,9a-hexahydropyrido[1,2-a]pyrazine-1,4-dione

3-propan-2-yl-2-(3,3,3-trifluoropropyl)-3,6,7,8,9,9a-hexahydropyrido[1,2-a]pyrazine-1,4-dione (PubChem CID 79917524) has the molecular formula C14H21F3N2O2 and a molecular weight of 306.33 g/mol. Its IUPAC name is 3-propan-2-yl-2-(3,3,3-trifluoropropyl)-3,6,7,8,9,9a-hexahydropyrido[1,2-a]pyrazine-1,4-dione.

Molecular Properties

Compound Name3-propan-2-yl-2-(3,3,3-trifluoropropyl)-3,6,7,8,9,9a-hexahydropyrido[1,2-a]pyrazine-1,4-dione
PubChem CID79917524
Molecular FormulaC14H21F3N2O2
Molecular Weight306.33 g/mol
Exact Mass306.16
IUPAC Name3-propan-2-yl-2-(3,3,3-trifluoropropyl)-3,6,7,8,9,9a-hexahydropyrido[1,2-a]pyrazine-1,4-dione
SMILESCC(C)C1C(=O)N2CCCCC2C(=O)N1CCC(F)(F)F
InChIInChI=1S/C14H21F3N2O2/c1-9(2)11-13(21)18-7-4-3-5-10(18)12(20)19(11)8-6-14(15,16)17/h9-11H,3-8H2,1-2H3
InChIKeyFDFQCSPDCGMJSY-UHFFFAOYSA-N
XLogP2.19
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.33
LogP ≤ 52.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-propan-2-yl-2-(3,3,3-trifluoropropyl)-3,6,7,8,9,9a-hexahydropyrido[1,2-a]pyrazine-1,4-dione?
The IUPAC name of 3-propan-2-yl-2-(3,3,3-trifluoropropyl)-3,6,7,8,9,9a-hexahydropyrido[1,2-a]pyrazine-1,4-dione (CID 79917524) is 3-propan-2-yl-2-(3,3,3-trifluoropropyl)-3,6,7,8,9,9a-hexahydropyrido[1,2-a]pyrazine-1,4-dione.
What is the SMILES notation for 3-propan-2-yl-2-(3,3,3-trifluoropropyl)-3,6,7,8,9,9a-hexahydropyrido[1,2-a]pyrazine-1,4-dione?
The canonical SMILES for 3-propan-2-yl-2-(3,3,3-trifluoropropyl)-3,6,7,8,9,9a-hexahydropyrido[1,2-a]pyrazine-1,4-dione is CC(C)C1C(=O)N2CCCCC2C(=O)N1CCC(F)(F)F.
What is the InChIKey of 3-propan-2-yl-2-(3,3,3-trifluoropropyl)-3,6,7,8,9,9a-hexahydropyrido[1,2-a]pyrazine-1,4-dione?
The InChIKey is FDFQCSPDCGMJSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21F3N2O2/c1-9(2)11-13(21)18-7-4-3-5-10(18)12(20)19(11)8-6-14(15,16)17/h9-11H,3-8H2,1-2H3.
What are the key properties of 3-propan-2-yl-2-(3,3,3-trifluoropropyl)-3,6,7,8,9,9a-hexahydropyrido[1,2-a]pyrazine-1,4-dione?
3-propan-2-yl-2-(3,3,3-trifluoropropyl)-3,6,7,8,9,9a-hexahydropyrido[1,2-a]pyrazine-1,4-dione has a molecular weight of 306.33 g/mol, XLogP of 2.19, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-propan-2-yl-2-(3,3,3-trifluoropropyl)-3,6,7,8,9,9a-hexahydropyrido[1,2-a]pyrazine-1,4-dione is sourced from PubChem (CID 79917524), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).